2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid

C8H8N4O2 — CID 67201217

IUPAC2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCC(C(=O)O)n1nnc2cccnc21
InChIInChI=1S/C8H8N4O2/c1-5(8(13)14)12-7-6(10-11-12)3-2-4-9-7/h2-5H,1H3,(H,13,14)
InChIKeyDHLBYOBQFFJDOR-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.47
Rot. Bonds2

About 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid

2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 67201217) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID67201217
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCC(C(=O)O)n1nnc2cccnc21
InChIInChI=1S/C8H8N4O2/c1-5(8(13)14)12-7-6(10-11-12)3-2-4-9-7/h2-5H,1H3,(H,13,14)
InChIKeyDHLBYOBQFFJDOR-UHFFFAOYSA-N
XLogP0.47
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
triazolo[4,5-b]pyridin-3-yl acetate
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2-(6-aminobenzotriazol-1-yl)propanoic acid
CID 83681384
2-(3-propan-2-ylbenzotriazol-4-yl)propanoic acid
CID 83895523
N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine
CID 131720865
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294510
2-(5-bromopyrazol-1-yl)propanoic acid
CID 122170343
2-amino-2-(3-propan-2-ylbenzotriazol-4-yl)acetic acid
CID 83896051
2-(2-methylimidazo[4,5-b]pyridin-3-yl)-2-phenylacetic acid
CID 82514415
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642

Frequently Asked Questions

What is the IUPAC name of 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid (CID 67201217) is 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid is CC(C(=O)O)n1nnc2cccnc21.
What is the InChIKey of 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is DHLBYOBQFFJDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(8(13)14)12-7-6(10-11-12)3-2-4-9-7/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid?
2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 67201217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).